2-(chloromethyl)-6,7-difluoro-1-[(4-fluorophenyl)methyl]benzimidazole

C15H10ClF3N2 — CID 62533402

IUPAC2-(chloromethyl)-6,7-difluoro-1-[(4-fluorophenyl)methyl]benzimidazole
SMILESFc1ccc(Cn2c(CCl)nc3ccc(F)c(F)c32)cc1
InChIInChI=1S/C15H10ClF3N2/c16-7-13-20-12-6-5-11(18)14(19)15(12)21(13)8-9-1-3-10(17)4-2-9/h1-6H,7-8H2
InChIKeyXUTATODBMFLTNS-UHFFFAOYSA-N
MW310.71 g/mol
LogP4.24
Rot. Bonds3

About 2-(chloromethyl)-6,7-difluoro-1-[(4-fluorophenyl)methyl]benzimidazole

2-(chloromethyl)-6,7-difluoro-1-[(4-fluorophenyl)methyl]benzimidazole (PubChem CID 62533402) has the molecular formula C15H10ClF3N2 and a molecular weight of 310.71 g/mol. Its IUPAC name is 2-(chloromethyl)-6,7-difluoro-1-[(4-fluorophenyl)methyl]benzimidazole.

Molecular Properties

Compound Name2-(chloromethyl)-6,7-difluoro-1-[(4-fluorophenyl)methyl]benzimidazole
PubChem CID62533402
Molecular FormulaC15H10ClF3N2
Molecular Weight310.71 g/mol
Exact Mass310.05
IUPAC Name2-(chloromethyl)-6,7-difluoro-1-[(4-fluorophenyl)methyl]benzimidazole
SMILESFc1ccc(Cn2c(CCl)nc3ccc(F)c(F)c32)cc1
InChIInChI=1S/C15H10ClF3N2/c16-7-13-20-12-6-5-11(18)14(19)15(12)21(13)8-9-1-3-10(17)4-2-9/h1-6H,7-8H2
InChIKeyXUTATODBMFLTNS-UHFFFAOYSA-N
XLogP4.24
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.71
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(chloromethyl)-6,7-difluoro-1-[(3-fluorophenyl)methyl]benzimidazole
CID 62532382
5-[[2-(chloromethyl)-6,7-difluorobenzimidazol-1-yl]methyl]-3-methyl-1,2,4-oxadiazole
CID 62532068
2-(chloromethyl)-6,7-difluoro-1-octylbenzimidazole
CID 115569242
2-(chloromethyl)-6,7-difluoro-1-(2,2,3,3-tetrafluoropropyl)benzimidazole
CID 106295132
2-(chloromethyl)-6,7-difluoro-1-(2-piperidin-1-ylethyl)benzimidazole
CID 62531896
2-(chloromethyl)-6,7-difluoro-1-(4-methylpentyl)benzimidazole
CID 63004461
4-[2-[2-(chloromethyl)-6,7-difluorobenzimidazol-1-yl]ethyl]morpholine
CID 62533395
2-(chloromethyl)-6,7-difluoro-1-(3-pyrrolidin-1-ylpropyl)benzimidazole
CID 62993069
5-[[2-(2-chloroethyl)-6,7-difluorobenzimidazol-1-yl]methyl]-1,2-oxazole
CID 106420558
2-(chloromethyl)-1-(2-cyclohexylethyl)-6,7-difluorobenzimidazole
CID 63545394
2-(chloromethyl)-6,7-difluoro-1-(2-imidazol-1-ylethyl)benzimidazole
CID 62533886
3-[2-(chloromethyl)-6,7-difluorobenzimidazol-1-yl]-N,N,2,2-tetramethylpropan-1-amine
CID 62533385

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-6,7-difluoro-1-[(4-fluorophenyl)methyl]benzimidazole?
The IUPAC name of 2-(chloromethyl)-6,7-difluoro-1-[(4-fluorophenyl)methyl]benzimidazole (CID 62533402) is 2-(chloromethyl)-6,7-difluoro-1-[(4-fluorophenyl)methyl]benzimidazole.
What is the SMILES notation for 2-(chloromethyl)-6,7-difluoro-1-[(4-fluorophenyl)methyl]benzimidazole?
The canonical SMILES for 2-(chloromethyl)-6,7-difluoro-1-[(4-fluorophenyl)methyl]benzimidazole is Fc1ccc(Cn2c(CCl)nc3ccc(F)c(F)c32)cc1.
What is the InChIKey of 2-(chloromethyl)-6,7-difluoro-1-[(4-fluorophenyl)methyl]benzimidazole?
The InChIKey is XUTATODBMFLTNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF3N2/c16-7-13-20-12-6-5-11(18)14(19)15(12)21(13)8-9-1-3-10(17)4-2-9/h1-6H,7-8H2.
What are the key properties of 2-(chloromethyl)-6,7-difluoro-1-[(4-fluorophenyl)methyl]benzimidazole?
2-(chloromethyl)-6,7-difluoro-1-[(4-fluorophenyl)methyl]benzimidazole has a molecular weight of 310.71 g/mol, XLogP of 4.24, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-6,7-difluoro-1-[(4-fluorophenyl)methyl]benzimidazole is sourced from PubChem (CID 62533402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).